Journal ArticleDOI
A semi-empirical method of absorption correction
TLDR
An extension of Furnas's method is described in this paper, where the variation of intensity of an axial reflection as the crystal is rotated about the goniometer axis is used to give a curve of relative transmission T against azimuthal angle ϕ for the corresponding reciprocal lattice level.Abstract:
An extension of Furnas's method is described. The variation of intensity of an axial reflection as the crystal is rotated about the goniometer axis is used to give a curve of relative transmission T against azimuthal angle ϕ for the corresponding reciprocal lattice level. Transmission coefficients for any general reflexion hkl are then given approximately by T(hkl) = [T(ϕinc) + T(ϕret)]/2 where ϕinc and ϕret are the azimuthal angles of the incident and reflected beams. Equations are derived for (ϕinc and ϕret and the accuracy of the method is discussed.read more
Citations
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M1, M2 site populations and distortion parameters in synthetic Mg-Fe orthopyroxenes from Mössbauer spectra and X-ray structure refinements
TL;DR: In this paper, the Mg-Fe distribution over M1 and M2 octahedral sites was determined on compounds with x = 1 and x=1, unheated and annealed at 650, 850 and 1040° C for 29 to 42 hours to obtain different degrees of order.
Journal ArticleDOI
Single-crystal thermometric calibration of Fe-Mg order-disorder in pigeonites
TL;DR: In this article, the single-crystal X-ray technique was used to calibrate a new intracrystalline geothermometer based on equilibrium Mg-Fe* fractionation (Fe* = Fe 2+ + Mn 2+ ) between M1 and M2 sites of natural P 2 1 /c pigeonite.
Journal ArticleDOI
Cyclometallated derivatives of platinum(II) derived from 6-(tert-butyl)-2,2′-bipyridine (HL). Crystal and molecular structure of [Pt(L)CI]
TL;DR: In this paper, the reaction of K2[PtCI4] with 6-(tert-butyl)-2,2′-bipyridine (HL) gave [Pt(L)CI]1a a cyclometallated species resulting from direct activation of a methyl C-H bond.
Journal ArticleDOI
The effect of the 3-trifluoromethyl substituent in polypyrazolylborato complexes on the iron(II) spin state; X-ray diffraction and absorption and Mössbauer studies ☆
Patrizio Cecchi,Mario Berrettoni,Marco Giorgetti,G. Gioia Lobbia,Sandro Calogero,Lorenzo Stievano +5 more
TL;DR: A series of bis(polypyrazolylborato)iron(II) complexes has been prepared and characterised by 57Fe Mossbauer spectroscopy as discussed by the authors, and the Tp3CF3 has been studied and compared with tp3CH3 by X-ray absorption investigation.
Journal ArticleDOI
Crystal and molecular structure of the sulfhydryl protease calotropin DI at 3·2 Å resolution☆
TL;DR: The polypeptide chain between residues 1 and 18 of caltropin DI folds in a unique manner, providing a possible explanation for the unusual inability of calotropin DI to hydrolyze those synthetic substrates that papain and actinidin act upon.
References
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Book
International tables for X-ray crystallography
Norman Fordyce McKerron Henry,Lonsdale, Kathleen, Dame,John S. Kasper,Caroline H. MacGillavry,Gerard D. Rieck,James A. Ibers,Walter C. Hamilton +6 more
ReportDOI
A fortran program for calculating single crystal absorption corrections
D.J. Wehe,W.R. Busing,H.A. Levy +2 more
TL;DR: A Fortran program is described for calculating the absorption correction for application to single crystal x ray or neutron intensity measurements and is available in the form of symbolic punched cards.